| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN3630 | MAT-POS-b3e365b9-1_1 |
|
EN300-266736_1_1_1 |
|
−0.0 ± 0.2 |
|
|
||||
| RUN5200 | MAT-POS-b3e365b9-1_1 |
|
EN300-21009_2_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN706 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-3875bbc8-3_1 |
|
−0.0 ± 0.1 |
|
|
||||
| RUN5222 | MAT-POS-b3e365b9-1_1 |
|
EN300-761220_4_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN2203 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-f39f51fd-1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN4021 | MAT-POS-b3e365b9-1_1 |
|
EN300-209532_2_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN7625 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-23e5a6a0-8_1_1 |
|
−0.0 ± 0.4 |
|
|
||||
| RUN7206 | MAT-POS-b3e365b9-1_1 |
|
EN300-633533_2_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN6560 | MAT-POS-b3e365b9-1_1 |
|
EN300-7459545_2_1_1 |
|
−0.0 ± 0.5 |
|
|
||||
| RUN7688 | MAT-POS-b3e365b9-1_1 |
|
EN300-304051_2_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN5894 | MAT-POS-b3e365b9-1_1 |
|
EN300-6503811_4_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN2253 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-5bb456a5-4_1 |
|
−0.0 ± 0.6 |
|
|
||||
| RUN579 | MAT-POS-b3e365b9-1_1 |
|
JAG-UCB-706446eb-6_1 |
|
−0.0 ± 0.2 |
|
|
||||
| RUN5269 | MAT-POS-b3e365b9-1_1 |
|
EN300-84476_1_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN1728 | MAT-POS-b3e365b9-1_1 |
|
JOH-UNI-3fc3434e-1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN6149 | MAT-POS-b3e365b9-1_1 |
|
EN300-77092_2_1_1 |
|
−0.0 ± 0.2 |
|
|
||||
| RUN1126 | MAT-POS-b3e365b9-1_1 |
|
BEN-DND-c852c98b-2_1 |
|
−0.00 ± 0.06 |
|
|
||||
| RUN6719 | MAT-POS-b3e365b9-1_1 |
|
EN300-82616_2_1_1 |
|
−0.0 ± 0.2 |
|
|
||||
| RUN472 | MAT-POS-b3e365b9-1_1 |
|
ADA-UCB-dc2b944c-4_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN1272 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-076fb6ea-1_1 |
|
0.0 ± 0.4 |
|
|
||||
| RUN6216 | MAT-POS-b3e365b9-1_1 |
|
EN300-10397_4_1_1 |
|
0.0 ± 0.2 |
|
|
||||
| RUN1285 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-ce760d3f-1_1 |
|
0.0 ± 0.1 |
|
|
||||
| RUN944 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-c749d764-26_7 |
|
0.0 ± 0.4 |
|
|
||||
| RUN6380 | MAT-POS-b3e365b9-1_1 |
|
EN300-76382_3_1_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN6124 | MAT-POS-b3e365b9-1_1 |
|
EN300-7448078_1_3_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN480 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-cdc2493e-5_3 |
|
0.0 ± 0.5 |
|
|
||||
| RUN117 | MAT-POS-b3e365b9-1_1 |
|
VLA-UCB-1dbca3b4-15_1 |
|
0.00 ± 0.02 |
|
|
||||
| RUN1156 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-8416115c-5_3 |
|
0.0 ± 0.3 |
|
|
||||
| RUN7369 | MAT-POS-b3e365b9-1_1 |
|
EN300-253462_1_1_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN138 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-f7918075-1_1 |
|
0.01 ± 0.03 |
|
|
||||
| RUN6824 | MAT-POS-b3e365b9-1_1 |
|
EN300-122340_4_1_1 |
|
0.0 ± 0.4 |
|
|
||||
| RUN276 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-8a69d52e-1_4 |
|
0.0 ± 0.1 |
|
|
||||
| RUN6208 | MAT-POS-b3e365b9-1_1 |
|
EN300-7439985_1_1_1 |
|
0.0 ± 0.2 |
|
|
||||
| RUN4761 | MAT-POS-b3e365b9-1_1 |
|
VLA-UCB-05e51b3f-12_2_1 |
|
0.0 ± 0.5 |
|
|
||||
| RUN6358 | MAT-POS-b3e365b9-1_1 |
|
EN300-1238839_2_1_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN1243 | MAT-POS-b3e365b9-1_1 |
|
LON-WEI-5e7d1b3e-58_1 |
|
0.0 ± 0.5 |
|
|
||||
| RUN6521 | MAT-POS-b3e365b9-1_1 |
|
EN300-260816_2_2_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN5853 | MAT-POS-b3e365b9-1_1 |
|
EN300-33398_3_1_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN4698 | MAT-POS-b3e365b9-1_1 |
|
EN300-1707879_1_1_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN530 | MAT-POS-b3e365b9-1_1 |
|
ADA-UCB-dc2b944c-3_1 |
|
0.0 ± 0.5 |
|
|
||||
| RUN125 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-c314995a-1_1 |
|
0.0 ± 0.5 |
|
|
||||
| RUN1512 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-58_2 |
|
0.0 ± 0.3 |
|
|
||||
| RUN2456 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-ba1ac7b9-1_3 |
|
0.0 ± 0.2 |
|
|
||||
| RUN7573 | MAT-POS-b3e365b9-1_1 |
|
EN300-103284_2_1_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN266 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-6a508060-3_1 |
|
0.01 ± 0.06 |
|
|
||||
| RUN5874 | MAT-POS-b3e365b9-1_1 |
|
EN300-6739235_1_1_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN4732 | MAT-POS-b3e365b9-1_1 |
|
EN300-249421_3_1_1 |
|
0.0 ± 0.4 |
|
|
||||
| RUN423 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-8be7dca9-7_1 |
|
0.01 ± 0.08 |
|
|
||||
| RUN6687 | MAT-POS-b3e365b9-1_1 |
|
EN300-07879_2_1_1 |
|
0.0 ± 0.2 |
|
|
||||
| RUN4920 | MAT-POS-b3e365b9-1_1 |
|
EN300-73772_4_1_1 |
|
0.0 ± 0.5 |
|
|
||||
| RUN218 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-b3e365b9-1_1 |
|
0.01 ± 0.03 |
|
|
||||
| RUN2406 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-40433386-10_1 |
|
0.0 ± 0.4 |
|
|
||||
| RUN129 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-bb423b95-8_1 |
|
0.0 ± 0.2 |
|
|
||||
| RUN6200 | MAT-POS-b3e365b9-1_1 |
|
EN300-7457160_2_1_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN5231 | MAT-POS-b3e365b9-1_1 |
|
EN300-302290_1_1_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN1406 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-3_2 |
|
0.0 ± 0.3 |
|
|
||||
| RUN5013 | MAT-POS-b3e365b9-1_1 |
|
EN300-39405_3_1_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN6916 | MAT-POS-b3e365b9-1_1 |
|
EN300-118117_1_1_1 |
|
0.0 ± 0.2 |
|
|
||||
| RUN6373 | MAT-POS-b3e365b9-1_1 |
|
EN300-178876_2_2_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN6186 | MAT-POS-b3e365b9-1_1 |
|
EN300-202757_2_1_1 |
|
0.0 ± 0.2 |
|
|
||||
| RUN2052 | MAT-POS-b3e365b9-1_1 |
|
CHO-MSK-a31cca77-2_2 |
|
0.0 ± 0.3 |
|
|
||||
| RUN1949 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-fce787c2-4_2 |
|
0.0 ± 0.3 |
|
|
||||
| RUN4051 | MAT-POS-b3e365b9-1_1 |
|
EN300-124918_1_1_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN716 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-5a93dd5f-10_1 |
|
0.0 ± 0.6 |
|
|
||||
| RUN6750 | MAT-POS-b3e365b9-1_1 |
|
EN300-1253092_1_2_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN4502 | MAT-POS-b3e365b9-1_1 |
|
EN300-17381_2_2_1 |
|
0.0 ± 0.2 |
|
|
||||
| RUN5295 | MAT-POS-b3e365b9-1_1 |
|
EN300-33398_3_2_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN1938 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-6be260fc-5_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN7160 | MAT-POS-b3e365b9-1_1 |
|
EN300-185378_4_1_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN7774 | MAT-POS-b3e365b9-1_1 |
|
EN300-6487134_3_1_1 |
|
0.0 ± 0.4 |
|
|
||||
| RUN7404 | MAT-POS-b3e365b9-1_1 |
|
EN300-7445890_1_3_1 |
|
0.0 ± 0.5 |
|
|
||||
| RUN3335 | MAT-POS-b3e365b9-1_1 |
|
EN300-6499531_2_1_1 |
|
0.0 ± 0.2 |
|
|
||||
| RUN2039 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-de59a476-2_2 |
|
0.0 ± 0.3 |
|
|
||||
| RUN4817 | MAT-POS-b3e365b9-1_1 |
|
EN300-153257_3_1_1 |
|
0.0 ± 0.4 |
|
|
||||
| RUN7473 | MAT-POS-b3e365b9-1_1 |
|
EN300-19515_4_2_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN6683 | MAT-POS-b3e365b9-1_1 |
|
EN300-65063_2_1_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN1593 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-12_3 |
|
0.0 ± 0.3 |
|
|
||||
| RUN625 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-5a93dd5f-3_6 |
|
0.0 ± 0.4 |
|
|
||||
| RUN5915 | MAT-POS-b3e365b9-1_1 |
|
EN300-24297_2_1_1 |
|
0.0 ± 0.2 |
|
|
||||
| RUN789 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0d514e7d-15_1 |
|
0.0 ± 0.2 |
|
|
||||
| RUN2689 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-ee07cf00-17_1 |
|
0.0 ± 0.4 |
|
|
||||
| RUN7212 | MAT-POS-b3e365b9-1_1 |
|
EN300-237298_1_1_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN6238 | MAT-POS-b3e365b9-1_1 |
|
EN300-129424_1_3_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN4713 | MAT-POS-b3e365b9-1_1 |
|
EN300-7459768_2_1_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN6782 | MAT-POS-b3e365b9-1_1 |
|
EN300-300020_1_1_1 |
|
0.0 ± 0.4 |
|
|
||||
| RUN7245 | MAT-POS-b3e365b9-1_1 |
|
EN300-00903_2_1_1 |
|
0.0 ± 0.4 |
|
|
||||
| RUN322 | MAT-POS-b3e365b9-1_1 |
|
FRA-DIA-b66f7109-3_1 |
|
0.0 ± 0.4 |
|
|
||||
| RUN6737 | MAT-POS-b3e365b9-1_1 |
|
EN300-1699797_1_1_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN4384 | MAT-POS-b3e365b9-1_1 |
|
EN300-55109_1_2_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN2490 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-d203f206-42_1 |
|
0.0 ± 0.5 |
|
|
||||
| RUN4592 | MAT-POS-b3e365b9-1_1 |
|
EN300-191495_1_1_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN7693 | MAT-POS-b3e365b9-1_1 |
|
EN300-1703714_2_1_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN2121 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-e0fe77e5-7_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN7789 | MAT-POS-b3e365b9-1_1 |
|
EN300-210254_2_1_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN5421 | MAT-POS-b3e365b9-1_1 |
|
EN300-682529_1_2_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN815 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-c749d764-2_2 |
|
0.0 ± 0.3 |
|
|
||||
| RUN1152 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-45817b9b-2_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN7504 | MAT-POS-b3e365b9-1_1 |
|
EN300-7549621_2_1_1 |
|
0.0 ± 0.3 |
|
|
||||
| RUN324 | MAT-POS-b3e365b9-1_1 |
|
FRA-DIA-b66f7109-3_2 |
|
0.0 ± 0.3 |
|
|
||||
| RUN2064 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-de59a476-4_2 |
|
0.0 ± 0.4 |
|
|
||||